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Elasticity and lattice dynamics of enstatite at high pressure

机译:顽辉石在高压下的弹性和晶格动力学

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摘要

The behavior of synthetic-powdered ^(57)Fe-enriched enstatite (Mg_(0.980)Fe_(0.020(5)))(Mg_(0.760)Fe_(0.240))Si_2O_6 has been explored by X-ray diffraction (XRD) and nuclear resonant inelastic X-ray scattering (NRIXS). The Pbca-structured enstatite sample was compressed in fine pressure increments for our independent XRD measurements. One structural transition between 10.1 and 12.2 GPa has been identified from the XRD data. The XRD reflections observed for the high-pressure phase are best matched with space group P2_1/c. We combine density functional theory with Mössbauer spectroscopy and NRIXS to understand the local site symmetry of the Fe atoms in our sample. A third-order Birch-Murnaghan (BM3) equation of state fitting gives K_(T0)=103±5 GPa and K'_(T0)=13±2 for the Pbca phase. At 12 GPa, a BM3 fitting gives K_(T12)=220±10 GPa with K'_(T12)=8±4 for the P2_1/c phase. NRIXS measurements were performed with in situ XRD up to 17 GPa. The partial phonon density of states (DOS) was derived from the raw NRIXS data, and from the low-energy region of the DOS, the Debye sound velocity was determined. We use the equation of state determined from XRD and Debye sound velocity to compute the isotropic compressional (V_P) and shear (V_S) wave velocities of enstatite at different pressures. Our results help constrain the high-pressure properties of Pbca-structured enstatite in the Earth's upper mantle. We find that candidate upper mantle phase assemblages containing Pbca-structured enstatite are associated with shear velocity gradients that are higher than the average Earth model PREM but lower than regional studies down to about 250 km depth.
机译:X射线衍射(XRD)研究了合成粉末富集^(57)Fe的顽辉石(Mg_(0.980)Fe_(0.020(5)))(Mg_(0.760)Fe_(0.240))Si_2O_6的行为。核共振非弹性X射线散射(NRIXS)。将Pbca结构的顽辉石样品以细微的压力增量进行压缩,以进行独立的XRD测量。从XRD数据已经确定了10.1和12.2 GPa之间的一种结构转变。在高压阶段观察到的XRD反射与空间群P2_1 / c最佳匹配。我们将密度泛函理论与Mössbauer光谱和NRIXS结合起来,以了解样品中Fe原子的局部位点对称性。状态拟合的三阶Birch-Murnaghan(BM3)方程给出Pbca相的K_(T0)= 103±5 GPa和K'_(T0)= 13±2。在12 GPa时,对于P2_1 / c相,BM3拟合给出K_(T12)= 220±10 GPa,而K'_(T12)= 8±4。 NRIXS测量是使用高达17 XGPa的原位XRD进行的。从原始NRIXS数据得出部分声子态密度(DOS),并从DOS的低能区域确定德拜声速。我们使用由XRD和德拜声速确定的状态方程来计算在不同压力下顽辉石的各向同性压缩(V_P)和剪切(V_S)波速。我们的结果有助于限制地球上地幔中Pbca结构的顽辉石的高压特性。我们发现,含有Pbca结构的顽辉石的候选上地幔相组合与剪切速度梯度有关,该梯度高于平均地球模型PREM,但低于区域研究,直至大约250 km的深度。

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